3-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-prop-2-enylurea

C14H17FN2O — CID 99856542

IUPAC3-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-prop-2-enylurea
SMILESC=CCN(C)C(=O)N[C@@H]1CCc2ccc(F)cc21
InChIInChI=1S/C14H17FN2O/c1-3-8-17(2)14(18)16-13-7-5-10-4-6-11(15)9-12(10)13/h3-4,6,9,13H,1,5,7-8H2,2H3,(H,16,18)/t13-/m1/s1
InChIKeyDZIUMMBZBZEISL-CYBMUJFWSA-N
MW248.30 g/mol
LogP2.64
Rot. Bonds3

About 3-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-prop-2-enylurea

3-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-prop-2-enylurea (PubChem CID 99856542) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 3-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-prop-2-enylurea.

Molecular Properties

Compound Name3-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-prop-2-enylurea
PubChem CID99856542
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name3-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-prop-2-enylurea
SMILESC=CCN(C)C(=O)N[C@@H]1CCc2ccc(F)cc21
InChIInChI=1S/C14H17FN2O/c1-3-8-17(2)14(18)16-13-7-5-10-4-6-11(15)9-12(10)13/h3-4,6,9,13H,1,5,7-8H2,2H3,(H,16,18)/t13-/m1/s1
InChIKeyDZIUMMBZBZEISL-CYBMUJFWSA-N
XLogP2.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-prop-2-enylurea
CID 99856543
3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 86952605
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-2-phenylacetamide
CID 111538143
1-(2-ethyl-2-hydroxybutyl)-3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)urea
CID 111106634
2-(2,3-dihydro-1H-inden-1-yl)-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955821
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111438730
3-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424120
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxypentan-3-yl)urea
CID 111455346
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111506065
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618833
3-(dimethylsulfamoyl)-N-[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 97062388
(2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906577

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-prop-2-enylurea?
The IUPAC name of 3-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-prop-2-enylurea (CID 99856542) is 3-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-prop-2-enylurea.
What is the SMILES notation for 3-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-prop-2-enylurea?
The canonical SMILES for 3-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-prop-2-enylurea is C=CCN(C)C(=O)N[C@@H]1CCc2ccc(F)cc21.
What is the InChIKey of 3-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-prop-2-enylurea?
The InChIKey is DZIUMMBZBZEISL-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-3-8-17(2)14(18)16-13-7-5-10-4-6-11(15)9-12(10)13/h3-4,6,9,13H,1,5,7-8H2,2H3,(H,16,18)/t13-/m1/s1.
What are the key properties of 3-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-prop-2-enylurea?
3-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-prop-2-enylurea has a molecular weight of 248.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-1-prop-2-enylurea is sourced from PubChem (CID 99856542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).